| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C4C(C(NC1C(C2c3ccccc3C1O2)O)=O)CC4 |
| InChI | InChI | 1.03 | InChI=1S/C15H17NO3/c17-12-11(16-15(18)8-4-3-5-8)13-9-6-1-2-7-10(9)14(12)19-13/h1-2,6-8,11-14,17H,3-5H2,(H,16,18)/t11-,12-,13-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | NITMPJPGMLLPTI-XDQVBPFNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](NC(=O)C2CCC2)[C@H]3O[C@@H]1c4ccccc34 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](NC(=O)C2CCC2)[CH]3O[CH]1c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)[C@H]3[C@H]([C@@H]([C@@H]2O3)O)NC(=O)C4CCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C3C(C(C2O3)O)NC(=O)C4CCC4 |
